SCHEMBL4050086

SCHEMBL4050086

CC(C)(C)OC(=O)NCCCCC(NC(=O)O)c1nc(Br)c(Br)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 6/20 0.42
TDP1 Q9NUW8 8/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 9/20 0.40
POLB P06746 4/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PAX8 Q06710 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4052261 0.82 TDP1 (0.45) MEN1KMT2AGAAMAPTTDP1
SCHEMBL4055523 0.80 BCHE (0.56) MAPTALDH1A1
SCHEMBL4049521 0.77 TDP1 (0.48) MEN1KMT2AGAAMAPTTDP1
SCHEMBL4049010 0.76 MEN1 (0.46) MEN1KMT2AGAAMAPTTDP1
SCHEMBL29071485 0.72 MAPT (0.60) MEN1KMT2AGAAMAPTTDP1
SCHEMBL5279510 0.71 HDAC3 (0.56) MAPTALDH1A1
SCHEMBL4047830 0.71 MAPT (0.47) MEN1KMT2AMAPTTDP1ATM
SCHEMBL4052446 0.71 MAPT (0.47) MEN1KMT2AGAAMAPTTDP1
SCHEMBL29071222 0.70 MAPT (0.58) MEN1KMT2AMAPTALDH1A1
SCHEMBL24580520 0.70 MEN1 (0.63) MEN1KMT2AGAAMAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026701-A1 SIRTUIN INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed